SCHEMBL27814931

SCHEMBL27814931

Clc1ccc(-c2c[nH]c(CCc3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44
▸ TUBB2A Q13885 1/20 0.44
▸ TUBB8 Q3ZCM7 1/20 0.44
▸ TUBA3E Q6PEY2 1/20 0.44
▸ TUBA1A Q71U36 1/20 0.44
▸ TUBA1C Q9BQE3 1/20 0.44
▸ TUBB6 Q9BUF5 1/20 0.44
▸ TUBB2B Q9BVA1 1/20 0.44
▸ TUBB1 Q9H4B7 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CXCR2 P25025 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ BRS3 P32247 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12068347 0.89 GSK3B (0.49) NR1H2GSK3BALDH1A1MAPTNPC1
SCHEMBL27967690 0.87 CXCR2 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2868702 0.86 NR1H2 (0.56) NR1H2GSK3BCXCR2ALDH1A1MAPT
SCHEMBL27834601 0.85 CXCR2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27967698 0.85 CXCR2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27815155 0.85 GSK3B (0.44) NR1H2GSK3BALDH1A1MAPTRXFP1
SCHEMBL28813519 0.82 GSK3B (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5106412 0.81 MAOB (0.47) GSK3BCXCR2BRS3
SCHEMBL28812276 0.80 TUBB4A (0.46) NR1H2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2872354 0.80 NR1H2 (0.49) NR1H2GSK3BALDH1A1MAPTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102119240-B Surface treating agent for copper or copper alloy and use thereof SHIKOKU CHEM 2014-07-30 — — CN disclosed
CN-102119240-A Surface treating agent for copper or copper alloy and use thereof SHIKOKU CHEM 2011-07-06 — — CN disclosed
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